Information card for entry 4304816

Structure parameters

• Formula: C33 H31 Mo P S4
• Calculated formula: C33 H31 Mo P S4
• SMILES: [Mo](=S)(=S)([S-])Sc1c(cc(cc1C)C)C.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Trithio-Chloro Molybdate [MoClS3]-: A Versatile Precursor for Molybdenum Trisulfido Complexes
• Authors of publication: Jun-ichi Ito; Yasuhiro Ohki; Masatoshi Iwata; Kazuyuki Tatsumi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3763 - 3771
• a: 11.187 ± 0.002 Å
• b: 12.523 ± 0.003 Å
• c: 12.906 ± 0.003 Å
• α: 106.779 ± 0.0007°
• β: 102.538 ± 0.0017°
• γ: 109.067 ± 0.002°
• Cell volume: 1536.2 ± 0.6 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No